(3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone

C15H13ClN2O2S — CID 711754

IUPAC(3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCOc1ccc2c(Cl)c(C(=O)n3nc(C)cc3C)sc2c1
InChIInChI=1S/C15H13ClN2O2S/c1-8-6-9(2)18(17-8)15(19)14-13(16)11-5-4-10(20-3)7-12(11)21-14/h4-7H,1-3H3
InChIKeyRLVZLLDTGOEPRB-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.07
Rot. Bonds2

About (3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone

(3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 711754) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is (3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID711754
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name(3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCOc1ccc2c(Cl)c(C(=O)n3nc(C)cc3C)sc2c1
InChIInChI=1S/C15H13ClN2O2S/c1-8-6-9(2)18(17-8)15(19)14-13(16)11-5-4-10(20-3)7-12(11)21-14/h4-7H,1-3H3
InChIKeyRLVZLLDTGOEPRB-UHFFFAOYSA-N
XLogP4.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone (CID 711754) is (3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone is COc1ccc2c(Cl)c(C(=O)n3nc(C)cc3C)sc2c1.
What is the InChIKey of (3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is RLVZLLDTGOEPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-8-6-9(2)18(17-8)15(19)14-13(16)11-5-4-10(20-3)7-12(11)21-14/h4-7H,1-3H3.
What are the key properties of (3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
(3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 320.80 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methoxy-1-benzothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 711754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).